Vitas-M small molecule compound
3-[(4-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK180907
SMILES N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(=O)O)/C(=O)Nc1ccccc1C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H20N2O4 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4/c1-17-5-2-3-8-23(17)27-24(28)21(15-26)13-18-9-11-22(12-10-18)31-16-19-6-4-7-20(14-19)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)/b21-13+InChIKey
IQJCMKYSCJFCAP-FYJGNVAPSA-NSynonyms
363170-84-73((4((1E)2CYANO3((2METHYLPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
3((4((E)2CYANO3(2METHYLANILINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
363170847
CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N
InChI=1SC25H20N2O4c117523823(17)2724(28)21(1526)131891122(121018)31161964720(1419)25(29)30h214H16H21H3(H2728)(H2930)b2113+
MFCD02611929
N#CC(=Cc1ccc(cc1)OCc1cccc(c1)C(=O)O)C(=O)Nc1ccccc1C
ZINC000004705346
ZINC4705346
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